N-[(5-methylfuran-2-yl)methyl]-4-pentylaniline

C17H23NO — CID 29295111

IUPACN-[(5-methylfuran-2-yl)methyl]-4-pentylaniline
SMILESCCCCCc1ccc(NCc2ccc(C)o2)cc1
InChIInChI=1S/C17H23NO/c1-3-4-5-6-15-8-10-16(11-9-15)18-13-17-12-7-14(2)19-17/h7-12,18H,3-6,13H2,1-2H3
InChIKeyKIHHUKLWZFWFGK-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.93
Rot. Bonds7

About N-[(5-methylfuran-2-yl)methyl]-4-pentylaniline

N-[(5-methylfuran-2-yl)methyl]-4-pentylaniline (PubChem CID 29295111) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-4-pentylaniline.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-4-pentylaniline
PubChem CID29295111
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-4-pentylaniline
SMILESCCCCCc1ccc(NCc2ccc(C)o2)cc1
InChIInChI=1S/C17H23NO/c1-3-4-5-6-15-8-10-16(11-9-15)18-13-17-12-7-14(2)19-17/h7-12,18H,3-6,13H2,1-2H3
InChIKeyKIHHUKLWZFWFGK-UHFFFAOYSA-N
XLogP4.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-4-propylsulfonylaniline
CID 62524394
N-[(5-bromofuran-2-yl)methyl]-4-propylaniline
CID 28665805
N-ethyl-4-nonylaniline
CID 154108619
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
N-(2,2-dimethylpropyl)-4-pentylaniline
CID 63421535
4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline
CID 60685123
4-[(4-butylanilino)methyl]-2,6-dimethylphenol
CID 28932398
4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline
CID 155533033
N-[(5-methylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673373
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline
CID 104769646
N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide
CID 43742503
4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62327186

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-pentylaniline?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-pentylaniline (CID 29295111) is N-[(5-methylfuran-2-yl)methyl]-4-pentylaniline.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-4-pentylaniline?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-4-pentylaniline is CCCCCc1ccc(NCc2ccc(C)o2)cc1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-4-pentylaniline?
The InChIKey is KIHHUKLWZFWFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-4-5-6-15-8-10-16(11-9-15)18-13-17-12-7-14(2)19-17/h7-12,18H,3-6,13H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-4-pentylaniline?
N-[(5-methylfuran-2-yl)methyl]-4-pentylaniline has a molecular weight of 257.38 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-4-pentylaniline is sourced from PubChem (CID 29295111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).